Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.507 N/A GLU 3.A N GLU 3.A OE1 no hydrogen 2.709 N/A LEU 9.A N ASP 8.A OD1 no hydrogen 2.783 N/A LEU 24.A N HIS 36.A O no hydrogen 3.069 N/A HIS 36.A N LEU 24.A O no hydrogen 3.142 N/A LEU 37.A N CYS 2.A O no hydrogen 3.188 N/A GLU 38.A N SER 22.A O no hydrogen 2.897 N/A TRP 40.A N ARG 20.A O no hydrogen 3.436 N/A LEU 49.A N LEU 99.A O no hydrogen 3.142 N/A SER 57.A OG LEU 56.A O no hydrogen 2.724 N/A SER 57.A OG ILE 69.A O no hydrogen 2.662 N/A ALA 58.A N LEU 56.A O no hydrogen 2.813 N/A LYS 61.A N TYR 67.A O no hydrogen 2.869 N/A PHE 68.A N GLN 80.A O no hydrogen 3.443 N/A LEU 70.A N ILE 78.A O no hydrogen 2.893 N/A LEU 72.A N SER 76.A O no hydrogen 2.509 N/A GLY 73.A N SER 52.A O no hydrogen 2.992 N/A SER 76.A N LEU 72.A O no hydrogen 2.725 N/A ILE 78.A N LEU 70.A O no hydrogen 2.703 N/A VAL 79.A N TRP 115.A O no hydrogen 2.881 N/A GLN 80.A N PHE 68.A O no hydrogen 3.142 N/A GLN 84.A NE2 SER 118.A O no hydrogen 3.133 N/A TRP 87.A N GLN 84.A O no hydrogen 3.324 N/A HIS 88.A N LEU 85.A O no hydrogen 3.166 N/A ALA 90.A N TRP 87.A O no hydrogen 3.309 N/A ARG 92.A N TYR 97.A OH no hydrogen 2.882 N/A VAL 98.A N LEU 123.A O no hydrogen 3.308 N/A THR 100.A N SER 121.A O no hydrogen 3.300 N/A THR 100.A OG1 ASN 48.A OD1 no hydrogen 2.361 N/A GLU 101.A N ASN 48.A OD1 no hydrogen 2.818 N/A LEU 102.A N ARG 47.A O no hydrogen 3.256 N/A ARG 103.A N MET 116.A O no hydrogen 3.247 N/A ARG 103.A NH1 LEU 102.A O no hydrogen 2.423 N/A SER 105.A N VAL 114.A O no hydrogen 3.425 N/A MET 116.A N ARG 103.A O no hydrogen 2.778 N/A THR 117.A OG1 SER 118.A O no hydrogen 3.256 N/A SER 118.A N THR 117.A OG1 no hydrogen 2.601 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.667 N/A SER 120.A OG THR 117.A OG1 no hydrogen 2.850 N/A SER 120.A OG SER 118.A O no hydrogen 3.324 N/A ARG 126.A N TYR 315.A O no hydrogen 2.664 N/A SER 128.A OG LEU 312.A O no hydrogen 2.659 N/A SER 128.A OG GLN 313.A O no hydrogen 3.472 N/A LEU 131.A N VAL 181.A O no hydrogen 3.005 N/A SER 132.A OG LEU 178.A O no hydrogen 3.524 N/A SER 132.A OG GLN 179.A O no hydrogen 3.476 N/A SER 134.A OG TYR 133.A O no hydrogen 2.762 N/A VAL 137.A N VAL 174.A O no hydrogen 3.115 N/A THR 138.A N GLU 149.A O no hydrogen 3.074 N/A THR 138.A OG1 GLU 149.A OE2 no hydrogen 3.405 N/A THR 138.A OG1 LEU 150.A O no hydrogen 2.319 N/A GLY 139.A N GLU 149.A O no hydrogen 3.367 N/A LEU 141.A N LEU 147.A O no hydrogen 3.000 N/A ASN 142.A N LEU 147.A O no hydrogen 3.016 N/A GLY 146.A N ASN 142.A O no hydrogen 2.913 N/A LEU 147.A N ASN 142.A O no hydrogen 3.023 N/A GLU 149.A N GLY 139.A O no hydrogen 2.791 N/A LEU 156.A N TYR 148.A O no hydrogen 2.679 N/A CYS 157.A N LEU 196.A O no hydrogen 3.020 N/A LEU 158.A N GLY 146.A O no hydrogen 3.291 N/A TYR 160.A OH LEU 237.A O no hydrogen 2.745 N/A ARG 167.A NE GLU 143.A OE2 no hydrogen 2.459 N/A ARG 167.A NH2 ALA 222.A O no hydrogen 3.332 N/A ARG 171.A NE GLN 212.A O no hydrogen 3.081 N/A ARG 171.A NH1 GLU 38.A OE2 no hydrogen 2.501 N/A ARG 171.A NH2 GLU 38.A OE1 no hydrogen 3.252 N/A ARG 171.A NH2 GLU 38.A OE2 no hydrogen 3.182 N/A ARG 171.A NH2 GLN 212.A O no hydrogen 3.569 N/A GLY 173.A N VAL 137.A O no hydrogen 2.728 N/A CYS 175.A N SER 208.A O no hydrogen 3.172 N/A CYS 175.A SG SER 208.A OG no hydrogen 2.810 N/A LEU 176.A N GLY 135.A O no hydrogen 3.277 N/A GLN 177.A N LEU 205.A O no hydrogen 2.943 N/A LEU 178.A N TYR 133.A O no hydrogen 3.031 N/A GLN 179.A N ALA 203.A O no hydrogen 3.079 N/A GLN 179.A NE2 VAL 54.A O no hydrogen 2.558 N/A LEU 184.A N VAL 195.A O no hydrogen 3.039 N/A GLN 185.A N TYR 315.A OH no hydrogen 3.166 N/A SER 186.A N TYR 315.A OH no hydrogen 3.509 N/A THR 191.A N GLY 188.A O no hydrogen 3.345 N/A THR 191.A OG1 GLY 188.A O no hydrogen 2.533 N/A VAL 195.A N LEU 184.A O no hydrogen 2.989 N/A LEU 196.A N GLY 155.A O no hydrogen 2.659 N/A ALA 197.A N HIS 182.A O no hydrogen 3.148 N/A CYS 199.A SG HIS 309.A ND1 no hydrogen 3.025 N/A ARG 201.A NH2 HIS 309.A NE2 no hydrogen 3.143 N/A GLY 202.A N CYS 199.A O no hydrogen 3.418 N/A LEU 205.A N GLN 177.A O no hydrogen 3.404 N/A GLN 207.A N CYS 175.A O no hydrogen 2.823 N/A SER 210.A OG PRO 172.A O no hydrogen 3.146 N/A SER 219.A OG SER 219.A O no hydrogen 2.526 N/A SER 226.A OG HIS 269.A ND1 no hydrogen 3.302 N/A LEU 227.A N GLY 224.A O no hydrogen 3.177 N/A TYR 228.A N GLY 224.A O no hydrogen 3.258 N/A GLN 230.A N LEU 227.A O no hydrogen 3.056 N/A GLN 230.A NE2 GLU 234.A OE1 no hydrogen 3.239 N/A GLN 230.A NE2 SER 270.A O no hydrogen 3.292 N/A GLN 230.A NE2 SER 270.A OG no hydrogen 2.648 N/A LEU 231.A N TYR 228.A O no hydrogen 3.349 N/A TRP 233.A N GLU 229.A O no hydrogen 3.359 N/A ARG 235.A N GLN 230.A O no hydrogen 3.057 N/A ARG 235.A NH1 ASP 287.A OD1 no hydrogen 3.339 N/A ARG 235.A NH2 ASP 287.A OD1 no hydrogen 3.410 N/A ARG 235.A NH2 ALA 290.A O no hydrogen 2.421 N/A TYR 242.A N GLY 238.A O no hydrogen 2.674 N/A TYR 242.A OH ALA 145.A O no hydrogen 2.699 N/A LEU 243.A N LEU 239.A O no hydrogen 3.325 N/A ALA 245.A N LEU 241.A O no hydrogen 3.108 N/A THR 246.A N TYR 242.A O no hydrogen 2.996 N/A LYS 247.A N TRP 244.A O no hydrogen 3.213 N/A ALA 248.A N TRP 244.A O no hydrogen 2.976 N/A LEU 249.A N ALA 245.A O no hydrogen 3.040 N/A GLU 251.A N LYS 247.A O no hydrogen 3.258 N/A LEU 252.A N ALA 248.A O no hydrogen 2.880 N/A LYS 255.A N LEU 252.A O no hydrogen 3.174 N/A LYS 255.A NZ PRO 325.A O no hydrogen 2.466 N/A LYS 255.A NZ LEU 384.A O no hydrogen 3.046 N/A LEU 256.A N LEU 252.A O no hydrogen 3.167 N/A CYS 257.A N ALA 253.A O no hydrogen 3.330 N/A HIS 259.A N LEU 256.A O no hydrogen 3.284 N/A VAL 260.A N LEU 256.A O no hydrogen 2.858 N/A LEU 261.A N LEU 256.A O no hydrogen 3.454 N/A GLN 265.A N ARG 262.A O no hydrogen 3.385 N/A GLN 265.A NE2 ARG 479.A O no hydrogen 3.666 N/A PHE 266.A N ARG 262.A O no hydrogen 3.007 N/A LEU 267.A N HIS 263.A O no hydrogen 3.349 N/A GLN 268.A NE2 GLN 265.A O no hydrogen 3.679 N/A SER 270.A N GLN 230.A OE1 no hydrogen 3.083 N/A SER 276.A OG GLN 268.A O no hydrogen 3.080 N/A LEU 279.A N SER 276.A O no hydrogen 3.194 N/A GLN 280.A N SER 276.A O no hydrogen 3.285 N/A LEU 281.A N LEU 277.A O no hydrogen 3.138 N/A LEU 282.A N LEU 279.A O no hydrogen 3.388 N/A ALA 283.A N LEU 279.A O no hydrogen 3.213 N/A THR 285.A N LEU 282.A O no hydrogen 2.952 N/A THR 285.A OG1 SER 322.A OG no hydrogen 3.107 N/A LEU 286.A N LEU 282.A O no hydrogen 3.160 N/A ALA 290.A N LEU 286.A O no hydrogen 3.235 N/A SER 294.A OG PRO 295.A O no hydrogen 3.509 N/A ARG 297.A NE GLU 302.A OE2 no hydrogen 2.580 N/A ARG 297.A NH2 TYR 160.A O no hydrogen 2.867 N/A ALA 299.A N ASN 298.A OD1 no hydrogen 2.910 N/A ILE 303.A N HIS 300.A O no hydrogen 3.276 N/A LEU 304.A N HIS 300.A O no hydrogen 2.807 N/A CYS 310.A N GLU 302.A OE2 no hydrogen 3.385 N/A LEU 312.A N CYS 310.A O no hydrogen 2.418 N/A TYR 315.A N ARG 126.A O no hydrogen 3.205 N/A ARG 317.A NE SER 186.A OG no hydrogen 2.845 N/A GLN 319.A N GLN 319.A OE1 no hydrogen 2.805 N/A SER 322.A OG THR 285.A OG1 no hydrogen 3.107 N/A THR 326.A OG1 ASP 400.A OD2 no hydrogen 2.853 N/A THR 326.A OG1 SER 402.A OG no hydrogen 2.534 N/A LEU 330.A N THR 326.A O no hydrogen 3.180 N/A LYS 331.A NZ SER 404.A O no hydrogen 3.223 N/A GLU 332.A N ALA 328.A O no hydrogen 3.131 N/A GLU 333.A N THR 329.A O no hydrogen 2.861 N/A ARG 336.A NE GLU 333.A OE1 no hydrogen 2.976 N/A ARG 336.A NE GLU 333.A OE2 no hydrogen 3.018 N/A ARG 336.A NH2 GLU 333.A OE1 no hydrogen 2.646 N/A ALA 340.A N ARG 336.A O no hydrogen 3.378 N/A ALA 346.A N ASP 343.A O no hydrogen 3.240 N/A LEU 347.A N ASP 343.A O no hydrogen 3.309 N/A ALA 353.A N PRO 349.A O no hydrogen 3.150 N/A SER 358.A OG ASN 362.A OD1 no hydrogen 3.366 N/A SER 358.A OG PHE 444.A O no hydrogen 2.807 N/A LEU 361.A N PRO 357.A O no hydrogen 2.868 N/A ASN 362.A N SER 358.A O no hydrogen 3.425 N/A ARG 364.A NH1 GLU 352.A OE2 no hydrogen 3.555 N/A SER 368.A N ARG 438.A O no hydrogen 3.209 N/A LEU 370.A N VAL 436.A O no hydrogen 3.128 N/A LEU 372.A N LEU 434.A O no hydrogen 3.148 N/A SER 375.A OG GLU 430.A O no hydrogen 3.195 N/A LEU 383.A N ALA 429.A O no hydrogen 3.029 N/A GLY 385.A N VAL 427.A O no hydrogen 3.262 N/A VAL 386.A N ARG 399.A O no hydrogen 2.792 N/A LEU 387.A N CYS 425.A O no hydrogen 3.105 N/A VAL 388.A N GLN 397.A O no hydrogen 2.822 N/A SER 390.A N CYS 395.A O no hydrogen 3.036 N/A HIS 392.A N SER 390.A OG no hydrogen 3.175 N/A LYS 393.A N SER 390.A OG no hydrogen 2.886 N/A GLY 394.A N SER 390.A O no hydrogen 2.980 N/A GLN 397.A N VAL 388.A O no hydrogen 3.066 N/A LEU 398.A N LEU 405.A O no hydrogen 2.948 N/A ARG 399.A N VAL 386.A O no hydrogen 2.858 N/A ASP 400.A N GLY 403.A O no hydrogen 3.362 N/A GLN 401.A NE2 CYS 254.A O no hydrogen 3.039 N/A SER 402.A OG THR 326.A OG1 no hydrogen 2.534 N/A SER 402.A OG ASP 400.A OD1 no hydrogen 3.040 N/A SER 402.A OG ASP 400.A OD2 no hydrogen 3.025 N/A GLY 403.A N ASP 400.A OD1 no hydrogen 3.429 N/A LEU 405.A N LEU 398.A O no hydrogen 3.133 N/A CYS 407.A N LEU 396.A O no hydrogen 3.442 N/A LEU 408.A N VAL 465.A O no hydrogen 2.906 N/A LEU 410.A N PHE 467.A O no hydrogen 3.487 N/A ALA 411.A N GLN 415.A O no hydrogen 2.913 N/A LYS 412.A N GLN 415.A O no hydrogen 3.377 N/A SER 414.A N LEU 708.A O no hydrogen 3.015 N/A GLY 424.A N LEU 387.A O no hydrogen 2.830 N/A CYS 425.A SG ARG 421.A O no hydrogen 3.777 N/A LEU 426.A N LEU 475.A O no hydrogen 2.855 N/A VAL 427.A N GLY 385.A O no hydrogen 2.956 N/A ARG 428.A N LEU 473.A O no hydrogen 2.977 N/A ARG 428.A NE LEU 281.A O no hydrogen 3.368 N/A ALA 429.A N LEU 383.A O no hydrogen 3.077 N/A ARG 431.A NH1 GLU 430.A O no hydrogen 3.504 N/A GLN 433.A N GLN 466.A O no hydrogen 3.059 N/A LEU 434.A N LEU 372.A O no hydrogen 2.852 N/A ILE 435.A N TYR 464.A O no hydrogen 2.992 N/A VAL 436.A N LEU 370.A O no hydrogen 3.183 N/A GLU 437.A N ARG 462.A O no hydrogen 3.062 N/A ARG 438.A N SER 368.A O no hydrogen 2.736 N/A ARG 438.A NE SER 368.A OG no hydrogen 2.883 N/A ARG 438.A NH1 ALA 338.A O no hydrogen 2.785 N/A ASP 439.A N GLN 460.A O no hydrogen 2.910 N/A VAL 440.A N ALA 366.A O no hydrogen 2.883 N/A ARG 441.A N LYS 458.A O no hydrogen 2.816 N/A SER 442.A OG PHE 455.A O no hydrogen 2.840 N/A SER 443.A N PHE 455.A O no hydrogen 2.928 N/A SER 443.A OG GLN 457.A OE1 no hydrogen 3.068 N/A SER 446.A OG GLU 449.A OE1 no hydrogen 2.744 N/A MET 452.A N GLU 449.A O no hydrogen 3.087 N/A GLN 457.A N ARG 441.A O no hydrogen 2.837 N/A GLN 457.A NE2 SER 443.A OG no hydrogen 3.248 N/A LYS 458.A N ARG 441.A O no hydrogen 3.238 N/A LYS 458.A NZ ASP 439.A OD1 no hydrogen 3.300 N/A GLN 460.A N ASP 439.A O no hydrogen 3.080 N/A ARG 462.A NH2 PRO 670.A O no hydrogen 3.247 N/A TYR 464.A N ILE 435.A O no hydrogen 3.087 N/A TYR 464.A OH GLU 437.A OE2 no hydrogen 2.693 N/A VAL 465.A N PRO 406.A O no hydrogen 3.219 N/A GLN 466.A N GLN 433.A O no hydrogen 3.180 N/A GLN 466.A NE2 GLN 433.A OE1 no hydrogen 2.618 N/A PHE 467.A N LEU 408.A O no hydrogen 3.491 N/A LEU 469.A N LEU 410.A O no hydrogen 2.953 N/A LEU 473.A N ARG 428.A O no hydrogen 2.952 N/A LEU 475.A N LEU 426.A O no hydrogen 2.920 N/A GLN 485.A N ALA 572.A O no hydrogen 2.982 N/A GLN 485.A NE2 THR 577.A O no hydrogen 3.154 N/A ARG 487.A N LEU 570.A O no hydrogen 3.288 N/A ARG 487.A NE GLY 527.A O no hydrogen 2.710 N/A ARG 487.A NH1 GLU 582.A OE2 no hydrogen 3.413 N/A PHE 489.A N TYR 568.A O no hydrogen 3.360 N/A LEU 490.A N SER 524.A O no hydrogen 3.070 N/A LEU 491.A N GLN 566.A O no hydrogen 3.279 N/A CYS 492.A N LEU 522.A O no hydrogen 2.889 N/A HIS 493.A N LEU 522.A O no hydrogen 3.402 N/A HIS 493.A NE2 SER 702.A O no hydrogen 3.064 N/A LYS 494.A NZ PHE 559.A O no hydrogen 2.903 N/A LYS 494.A NZ LEU 562.A O no hydrogen 2.684 N/A GLU 495.A N TYR 520.A O no hydrogen 3.075 N/A ALA 496.A N SER 701.A O no hydrogen 3.269 N/A MET 498.A N SER 518.A O no hydrogen 3.310 N/A ARG 500.A N ALA 516.A O no hydrogen 3.132 N/A ARG 500.A NE GLU 589.A OE2 no hydrogen 3.529 N/A ARG 500.A NH1 ALA 496.A O no hydrogen 2.734 N/A ARG 500.A NH2 ALA 496.A O no hydrogen 3.280 N/A CYS 503.A N ARG 586.A O no hydrogen 3.027 N/A CYS 503.A SG ARG 586.A O no hydrogen 4.010 N/A CYS 503.A SG PRO 587.A O no hydrogen 3.362 N/A SER 518.A N MET 498.A O no hydrogen 3.114 N/A PHE 519.A N PHE 551.A O no hydrogen 3.148 N/A VAL 521.A N LEU 549.A O no hydrogen 3.266 N/A LEU 522.A N HIS 493.A O no hydrogen 2.911 N/A GLY 523.A N VAL 547.A O no hydrogen 2.976 N/A SER 524.A N LEU 490.A O no hydrogen 3.209 N/A TRP 525.A N GLN 545.A O no hydrogen 3.201 N/A LEU 526.A N LEU 488.A O no hydrogen 3.172 N/A GLN 530.A N SER 486.A O no hydrogen 2.802 N/A LYS 532.A N GLY 484.A O no hydrogen 3.001 N/A LYS 532.A NZ THR 535.A O no hydrogen 2.824 N/A GLU 533.A N GLY 536.A O no hydrogen 2.883 N/A GLY 536.A N GLU 533.A O no hydrogen 3.211 N/A GLY 538.A N ARG 531.A O no hydrogen 2.931 N/A GLU 541.A N THR 529.A O no hydrogen 3.351 N/A GLN 543.A NE2 GLN 545.A OE1 no hydrogen 2.956 N/A LYS 546.A N ASP 544.A OD1 no hydrogen 3.385 N/A VAL 547.A N GLY 523.A O no hydrogen 3.241 N/A HIS 548.A N SER 595.A O no hydrogen 2.863 N/A LEU 549.A N VAL 521.A O no hydrogen 3.130 N/A ILE 550.A N LEU 597.A O no hydrogen 3.048 N/A PHE 551.A N PHE 519.A O no hydrogen 2.935 N/A SER 555.A N PHE 552.A O no hydrogen 3.397 N/A SER 555.A OG SER 555.A O no hydrogen 2.523 N/A ARG 557.A NH1 SER 554.A O no hydrogen 3.274 N/A HIS 563.A N TYR 568.A OH no hydrogen 3.070 N/A HIS 563.A ND1 TYR 704.A OH no hydrogen 2.792 N/A HIS 563.A NE2 LEU 417.A O no hydrogen 2.919 N/A GLY 565.A N LEU 491.A O no hydrogen 3.149 N/A TYR 568.A N PHE 489.A O no hydrogen 3.098 N/A TYR 568.A OH PHE 561.A O no hydrogen 2.439 N/A ARG 569.A N GLU 606.A O no hydrogen 2.751 N/A ARG 569.A NE GLU 608.A OE1 no hydrogen 2.907 N/A ARG 569.A NH1 SER 486.A OG no hydrogen 2.477 N/A ARG 569.A NH1 GLN 530.A OE1 no hydrogen 3.061 N/A ARG 569.A NH2 GLU 608.A OE1 no hydrogen 2.870 N/A LEU 570.A N ARG 487.A O no hydrogen 3.140 N/A ILE 571.A N THR 604.A O no hydrogen 2.806 N/A ALA 572.A N GLN 485.A O no hydrogen 3.069 N/A THR 577.A N PRO 575.A O no hydrogen 2.875 N/A THR 577.A OG1 PRO 575.A O no hydrogen 3.547 N/A LEU 588.A N ASN 501.A O no hydrogen 3.037 N/A GLU 589.A N GLU 589.A OE1 no hydrogen 2.958 N/A LEU 590.A N PRO 587.A O no hydrogen 3.418 N/A CYS 593.A SG LEU 590.A O no hydrogen 3.663 N/A CYS 596.A SG CYS 593.A O no hydrogen 3.934 N/A LEU 597.A N HIS 548.A O no hydrogen 2.837 N/A THR 598.A N ASP 584.A OD1 no hydrogen 3.292 N/A VAL 599.A N ILE 550.A O no hydrogen 2.921 N/A GLN 600.A NE2 THR 598.A O no hydrogen 3.245 N/A THR 604.A N ILE 571.A O no hydrogen 2.961 N/A GLU 606.A N ARG 569.A O no hydrogen 3.000 N/A GLU 608.A N VAL 567.A O no hydrogen 3.276 N/A SER 609.A OG GLU 608.A O no hydrogen 2.793 N/A GLU 612.A N GLU 612.A OE1 no hydrogen 2.662 N/A SER 613.A OG SER 614.A O no hydrogen 3.563 N/A SER 614.A N SER 629.A O no hydrogen 2.561 N/A LEU 618.A N LEU 615.A O no hydrogen 3.272 N/A PHE 623.A N ASP 621.A O no hydrogen 3.169 N/A SER 626.A N ASP 625.A OD1 no hydrogen 2.591 N/A SER 626.A OG SER 626.A O no hydrogen 2.447 N/A SER 626.A OG GLU 686.A OE2 no hydrogen 3.011 N/A VAL 628.A N LEU 685.A O no hydrogen 3.453 N/A SER 629.A N SER 614.A OG no hydrogen 3.148 N/A PHE 630.A N PHE 682.A O no hydrogen 2.811 N/A SER 631.A OG HIS 681.A ND1 no hydrogen 3.017 N/A ALA 632.A N VAL 680.A O no hydrogen 3.107 N/A ILE 634.A N ALA 678.A O no hydrogen 3.158 N/A LEU 635.A N THR 645.A O no hydrogen 2.756 N/A ARG 637.A NH1 LEU 674.A O no hydrogen 2.770 N/A THR 638.A N LYS 643.A O no hydrogen 3.052 N/A CYS 641.A SG ILE 663.A O no hydrogen 3.647 N/A VAL 642.A N ILE 663.A O no hydrogen 2.905 N/A LYS 643.A N THR 638.A O no hydrogen 2.966 N/A LEU 644.A N VAL 661.A O no hydrogen 2.738 N/A THR 645.A N SER 636.A O no hydrogen 3.258 N/A THR 645.A OG1 ASP 660.A OD1 no hydrogen 3.159 N/A VAL 646.A N LEU 659.A O no hydrogen 3.152 N/A ALA 647.A N GLU 633.A O no hydrogen 2.917 N/A LEU 648.A N PRO 657.A O no hydrogen 3.348 N/A GLU 649.A N SER 631.A O no hydrogen 3.024 N/A CYS 653.A SG PHE 655.A O no hydrogen 3.924 N/A LEU 659.A N VAL 646.A O no hydrogen 3.040 N/A VAL 661.A N LEU 644.A O no hydrogen 2.727 N/A TYR 662.A N CYS 697.A O no hydrogen 3.036 N/A ILE 663.A N VAL 642.A O no hydrogen 2.862 N/A HIS 667.A N GLU 664.A O no hydrogen 2.941 N/A GLY 677.A N ILE 634.A O no hydrogen 2.890 N/A ALA 678.A N LEU 675.A O no hydrogen 3.241 N/A ARG 679.A NE GLU 649.A OE1 no hydrogen 3.312 N/A ARG 679.A NE GLU 649.A OE2 no hydrogen 3.055 N/A ARG 679.A NH1 SER 414.A OG no hydrogen 3.394 N/A ARG 679.A NH1 SER 709.A OG no hydrogen 3.317 N/A VAL 680.A N ALA 632.A O no hydrogen 3.439 N/A HIS 681.A N GLN 706.A O no hydrogen 2.792 N/A HIS 681.A ND1 SER 631.A OG no hydrogen 3.017 N/A PHE 682.A N PHE 630.A O no hydrogen 2.859 N/A SER 683.A N TYR 704.A O no hydrogen 3.526 N/A SER 683.A OG THR 703.A O no hydrogen 2.303 N/A SER 683.A OG TYR 704.A O no hydrogen 3.266 N/A LEU 685.A N VAL 628.A O no hydrogen 3.048 N/A GLU 686.A N CYS 698.A O no hydrogen 2.941 N/A LYS 687.A NZ LEU 618.A O no hydrogen 3.104 N/A LYS 687.A NZ SER 620.A O no hydrogen 3.314 N/A ARG 688.A N TYR 696.A O no hydrogen 2.889 N/A SER 690.A N ASN 694.A O no hydrogen 2.819 N/A SER 690.A OG ASN 694.A O no hydrogen 3.318 N/A HIS 693.A N SER 690.A O no hydrogen 3.147 N/A ASN 694.A N SER 690.A OG no hydrogen 3.133 N/A VAL 695.A N SER 866.A O no hydrogen 3.363 N/A TYR 696.A N ARG 688.A O no hydrogen 3.232 N/A CYS 697.A N ASP 660.A O no hydrogen 3.017 N/A CYS 698.A N GLU 686.A O no hydrogen 2.970 N/A PHE 699.A N TYR 662.A O no hydrogen 3.304 N/A THR 703.A OG1 ARG 700.A O no hydrogen 2.961 N/A TYR 704.A OH HIS 563.A ND1 no hydrogen 2.792 N/A TYR 704.A OH GLN 706.A OE1 no hydrogen 2.464 N/A GLN 706.A N HIS 681.A O no hydrogen 3.038 N/A LEU 708.A N ARG 679.A O no hydrogen 2.760 N/A SER 709.A N ARG 679.A O no hydrogen 3.205 N/A GLU 727.A N TYR 724.A O no hydrogen 3.293 N/A LEU 729.A N ALA 726.A O no hydrogen 3.047 N/A GLN 730.A N ALA 726.A O no hydrogen 3.086 N/A SER 734.A OG GLU 727.A O no hydrogen 3.075 N/A THR 739.A OG1 PRO 721.A O no hydrogen 3.156 N/A SER 741.A OG ILE 855.A O no hydrogen 3.393 N/A CYS 742.A N ILE 855.A O no hydrogen 3.186 N/A CYS 742.A SG ALA 740.A O no hydrogen 3.394 N/A HIS 743.A N GLU 791.A O no hydrogen 3.044 N/A ILE 744.A N ARG 853.A O no hydrogen 3.358 N/A VAL 745.A N LEU 789.A O no hydrogen 3.303 N/A PHE 748.A N ARG 787.A O no hydrogen 2.799 N/A LEU 750.A N LEU 832.A O no hydrogen 3.184 N/A GLN 751.A N ILE 785.A O no hydrogen 2.951 N/A LEU 752.A N VAL 830.A O no hydrogen 3.109 N/A TRP 754.A NE1 LEU 821.A O no hydrogen 2.899 N/A VAL 755.A N ILE 781.A O no hydrogen 2.936 N/A TYR 758.A OH THR 777.A OG1 no hydrogen 3.307 N/A CYS 759.A SG SER 761.A OG no hydrogen 3.511 N/A CYS 763.A N TRP 754.A O no hydrogen 3.295 N/A CYS 763.A SG SER 761.A O no hydrogen 3.818 N/A GLN 765.A N GLN 825.A O no hydrogen 3.048 N/A THR 769.A N ILE 762.A O no hydrogen 3.281 N/A THR 769.A OG1 ILE 762.A O no hydrogen 2.422 N/A CYS 775.A SG THR 774.A O no hydrogen 3.256 N/A THR 777.A OG1 TYR 758.A OH no hydrogen 3.307 N/A THR 779.A N THR 777.A O no hydrogen 3.003 N/A ILE 781.A N VAL 755.A O no hydrogen 3.258 N/A GLN 783.A N PHE 753.A O no hydrogen 2.955 N/A GLN 783.A NE2 TYR 355.A O no hydrogen 2.939 N/A GLN 783.A NE2 SER 782.A O no hydrogen 2.901 N/A ILE 785.A N GLN 751.A O no hydrogen 3.134 N/A ILE 786.A N CYS 801.A O no hydrogen 3.158 N/A ARG 787.A N SER 749.A O no hydrogen 3.297 N/A LEU 788.A N VAL 799.A O no hydrogen 2.963 N/A GLU 791.A N HIS 743.A O no hydrogen 2.983 N/A ASP 792.A N ALA 795.A O no hydrogen 2.979 N/A GLY 793.A N ASP 792.A OD1 no hydrogen 2.718 N/A ALA 797.A N VAL 790.A O no hydrogen 3.093 N/A VAL 798.A N LEU 894.A O no hydrogen 2.852 N/A THR 800.A N LEU 896.A O no hydrogen 3.315 N/A CYS 801.A N ILE 786.A O no hydrogen 3.033 N/A HIS 804.A ND1 ASN 803.A O no hydrogen 2.463 N/A HIS 805.A N ARG 802.A O no hydrogen 3.135 N/A ALA 809.A N VAL 806.A O no hydrogen 3.246 N/A LEU 810.A N VAL 806.A O no hydrogen 3.085 N/A CYS 813.A N GLU 816.A OE2 no hydrogen 3.000 N/A GLU 816.A N CYS 813.A O no hydrogen 3.118 N/A TRP 817.A N CYS 813.A O no hydrogen 2.717 N/A SER 819.A OG GLU 816.A O no hydrogen 3.299 N/A LEU 820.A N GLU 816.A O no hydrogen 3.244 N/A LEU 821.A N ALA 818.A O no hydrogen 3.202 N/A LEU 832.A N LEU 750.A O no hydrogen 2.942 N/A THR 844.A OG1 MET 840.A O no hydrogen 2.388 N/A LEU 845.A N PHE 841.A O no hydrogen 3.020 N/A CYS 846.A N LEU 842.A O no hydrogen 2.978 N/A CYS 846.A SG LEU 842.A O no hydrogen 3.239 N/A THR 847.A OG1 TRP 843.A O no hydrogen 2.561 N/A SER 848.A N LEU 845.A O no hydrogen 3.314 N/A SER 848.A OG LEU 845.A O no hydrogen 3.110 N/A SER 848.A OG SER 850.A OG no hydrogen 2.355 N/A SER 850.A N SER 848.A OG no hydrogen 3.122 N/A SER 850.A OG SER 848.A OG no hydrogen 2.355 N/A VAL 851.A N SER 848.A O no hydrogen 3.285 N/A LEU 852.A N SER 848.A O no hydrogen 3.224 N/A ARG 853.A NE GLU 903.A OE1 no hydrogen 3.305 N/A ARG 853.A NH1 ALA 809.A O no hydrogen 2.730 N/A ARG 853.A NH1 VAL 851.A O no hydrogen 2.849 N/A ARG 853.A NH2 ALA 809.A O no hydrogen 3.347 N/A ARG 853.A NH2 GLU 903.A OE1 no hydrogen 3.328 N/A ILE 855.A N CYS 742.A O no hydrogen 2.903 N/A VAL 856.A N ARG 902.A O no hydrogen 3.071 N/A PHE 859.A N ALA 738.A O no hydrogen 3.107 N/A GLU 860.A N SER 897.A O no hydrogen 2.815 N/A LEU 861.A N PHE 736.A O no hydrogen 3.208 N/A GLU 862.A N ARG 895.A O no hydrogen 3.481 N/A SER 866.A OG HIS 658.A O no hydrogen 2.769 N/A LYS 867.A N LYS 864.A O no hydrogen 2.758 N/A LYS 867.A NZ SER 692.A O no hydrogen 2.413 N/A ILE 868.A N HIS 693.A O no hydrogen 2.961 N/A ARG 875.A N VAL 890.A O no hydrogen 3.219 N/A GLN 877.A N THR 888.A O no hydrogen 3.086 N/A LEU 884.A N CYS 881.A O no hydrogen 3.455 N/A PHE 886.A N LEU 884.A O no hydrogen 3.163 N/A THR 888.A N GLN 877.A O no hydrogen 3.300 N/A VAL 890.A N ARG 875.A O no hydrogen 3.291 N/A LEU 896.A N VAL 798.A O no hydrogen 2.724 N/A SER 897.A N GLU 860.A O no hydrogen 2.725 N/A CYS 898.A N THR 800.A O no hydrogen 3.427 N/A LEU 899.A N SER 858.A O no hydrogen 2.715 N/A SER 900.A N SER 858.A O no hydrogen 3.172 N/A ARG 902.A N VAL 856.A O no hydrogen 3.099 N/A